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At least 415 records · Page 23

Benchmarking density functional perturbation theory to enable high-throughput screening of materials for dielectric constant and refractive index

We demonstrate a high-throughput density functional perturbation theory (DFPT) methodology capable of screening compounds for their dielectric properties. The electronic and ionic dielectric tensors are calculated for 88 compounds, where the eigenvalues of the total dielectric tensors are compared with single crystal and polycrystalline experimental values reported in the literature. We find that GGA/PBE has a smaller mean average deviation from experiments (MARD=16.2%) when compared to LDA. The prediction accuracy of DFPT is lowest for compounds that exhibit complex structural relaxation effects (e.g., octahedra rotation in perovskites) and/or strong anharmonicity. Despite some discrepancies between DFPT results and reported experimental values, the high-throughput methodology is found to be useful in identifying interesting compounds by ranking. This is demonstrated by the high Spearman correlation factor (ρ=0.92). Finally, we demonstrate that DFPT provides a good estimate for the refractive index of a compound without calculating the frequency dependence of the dielectric matrix (MARD=5.7%).

36 MATERIALS SCIENCE↗

The Simons Observatory: forecasted constraints on primordial gravitational waves with the expanded array of Small Aperture Telescopes

We present updated forecasts for the scientific performance of the degree-scale (0.5 deg FWHM at 93 GHz), deep-field survey to be conducted by the Simons Observatory (SO). By 2027, the SO Small Aperture Telescope (SAT) complement will be doubled from three to six telescopes, including a doubling of the detector count in the 93 GHz and 145 GHz channels to 48,160 detectors. Combined with a planned extension of the survey duration to 2035, this expansion will significantly enhance SO's search for a B-mode signal in the polarisation of the cosmic microwave background, a potential signature of gravitational waves produced in the very early Universe. Assuming a 1/f noise model with knee multipole ℓ knee = 50 and a moderately complex model for Galactic foregrounds, we forecast a 1σ (or 68% confidence level) constraint on the tensor-to-scalar ratio r of σ r = 1.2 × 10 -3 , assuming no primordial B-modes are present. This forecast assumes that 70% of the B-mode lensing signal can ultimately be removed using high resolution observations from the SO Large Aperture Telescope (LAT) and overlapping large-scale structure surveys. For more optimistic assumptions regarding foregrounds and noise, and assuming the same level of delensing, this forecast constraint improves to σ r = 7 × 10 -4 . These forecasts represent a major improvement in SO's constraining power, being a factor of around 2.5 times better than what could be achieved with the originally planned campaign, which assumed the existing three SATs would conduct a five-year survey.

CMBR experiments↗

Cosmic microwave background constraints for global strings and global monopoles

We present the first cosmic microwave background (CMB) power spectra from numerical simulations of the global O( N ) linear σ-model, with N =2,3, which have global strings and monopoles as topological defects. In order to compute the CMB power spectra we compute the unequal time correlators (UETCs) of the energy-momentum tensor, showing that they fall off at high wave number faster than naive estimates based on the geometry of the defects, indicating non-trivial (anti-)correlations between the defects and the surrounding Goldstone boson field. We obtain source functions for Einstein-Boltzmann solvers from the UETCs, using a recently developed method that improves the modelling at the radiation-matter transition. We show that the interpolation function that mimics the transition is similar to other defect models, but not identical, confirming the non-universality of the interpolation function. The CMB power spectra for global strings and global monopoles have the same overall shape as those obtained using the non-linear σ-model approximation, which is well captured by a large- N calculation. However, the amplitudes are larger than the large- N calculation would naively predict, and in the case of global strings much larger: a factor of 20 at the peak. Finally we compare the CMB power spectra with the latest CMB data in other to put limits on the allowed contribution to the temperature power spectrum at multipole l = 10 of 1.7% for global strings and 2.4% for global monopoles. These limits correspond to symmetry-breaking scales of 2.9× 10{sup 15} GeV (6.3× 10{sup 14} GeV with the expected logarithmic scaling of the effective string tension between the simulation time and decoupling) and 6.4× 10{sup 15} GeV respectively. The bound on global strings is a significant one for the ultra-light axion scenario with axion masses m {sub a} ∼< 10{sup −28} eV . These upper limits indicate that gravitational waves from global topological defects will not be observable at the gravitational wave observatory LISA.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Radiation Hydrodynamic Simulations of Dust-driven Winds

We study dusty winds driven by radiation pressure in the atmosphere of a rapidly star-forming environment. We apply the variable Eddington tensor algorithm to re-examine the two-dimensional radiation hydrodynamic problem of a column of gas that is accelerated by a constant infrared radiation flux. In the absence of gravity, the system is primarily characterized by the initial optical depth of the gas. We perform several runs with different initial optical depths and resolutions. We find that the gas spreads out along the vertical direction, as its mean velocity and velocity dispersion increase. In contrast to previous work using the flux-limited diffusion algorithm, we find little evolution in the trapping factor. The momentum coupling between radiation and gas in the absence of gravity is similar to that with gravity. For Eddington ratio increasing with the height in the system, the momentum transfer from the radiation to the gas is not merely ∼L/c, but amplified by a factor of 1+ητ{sub IR}, where τ{sub IR} is the integrated infrared optical depth through the system, and η∼0.5--0.9, decreasing with the optical depth. We apply our results to the atmosphere of galaxies and conclude that radiation pressure may be an important mechanism for driving winds in the most rapidly star-forming galaxies and starbursts.

79 ASTRONOMY AND ASTROPHYSICS↗

Structural Studies of Alloyed and Nanoparticle Transition Metal Dichalcogenides by Selenium-77 Solid-State Nuclear Magnetic Resonance Spectroscopy

Layered transition metal dichalcogenides (TMDCs) such as MoS 2 , MoSe 2 , and WSe 2 are under intense investigation because they are atomically thin semiconductors with photophysical properties that can be tuned by changing their composition or morphology. Mechanochemical processing has been proposed as a method to obtain alloyed TMDCs in the series Mo 1–x W x S y Se 2–y (x = 0–1; y = 0–2). However, elucidating the chemical transformations occurring at the atomic scale following mechanochemical processing can be challenging because the products are often amorphous or microcrystalline. To address this challenge, we probe TMDC mixing and alloying by using a combination of powder X-ray diffraction, Raman spectroscopy, diffuse reflectance spectroscopy, 77 Se solid-state nuclear magnetic resonance (SSNMR) spectroscopy, and planewave density functional theory (DFT) calculations. The nature of the milling material and reaction atmosphere are shown to be essential factors in limiting the formation of undesired oxide byproducts. We demonstrate acquisition of 77 Se SSNMR spectra using different combinations of Carr-Purcell Meiboom-Gill acquisition (CPMG) pulse sequences, magic angle spinning (MAS), and MAS dynamic nuclear polarization. Further, the combination of SSNMR with the other characterization methods clearly demonstrates that high energy impact ball milling induces molecular level alloying of Mo, W and chalcogen atoms in the family Mo 1–x W x S y Se 2–y . Gauge including projector augmented wave DFT calculations yield accurate 77 Se chemical shift (CS) tensor components. 77 Se SSNMR spectroscopy was also applied to study the structure of WSe 2 nanocrystals intercalated with ethylenediamine. The intercalated WSe 2 nanocrystals exhibit a more positive isotropic 77 Se CS as compared to bulk WSe 2 , however, the 77 Se CS anisotropy is the same, confirming the WSe 2 layers have a similar structure as in their bulk counterparts.

36 MATERIALS SCIENCE↗

The Turbulent Stress Spectrum in the Inertial and Subinertial Ranges

For velocity and magnetic fields, the turbulent pressure and, more generally, the squared fields such as the components of the turbulent stress tensor, play important roles in astrophysics. For both one and three dimensions, we derive the equations relating the energy spectra of the fields to the spectra of their squares. We solve the resulting integrals numerically and show that for turbulent energy spectra of Kolmogorov type, the spectral slope of the stress spectrum is also of Kolmogorov type. For shallower turbulence spectra, the slope of the stress spectrum quickly approaches that of white noise, regardless of how blue the spectrum of the field is. For fully helical fields, the stress spectrum is elevated by about a factor of two in the subinertial range, while that in the inertial range remains unchanged. We discuss possible implications for understanding the spectrum of primordial gravitational waves from causally generated magnetic fields during cosmological phase transitions in the early universe. We also discuss potential diagnostic applications to the interstellar medium, where polarization and scintillation measurements characterize the square of the magnetic field.

79 ASTRONOMY AND ASTROPHYSICS↗

German experiences in local fatigue monitoring

The ageing management of nuclear power plants (NPP) has gained an increasing importance in the last years. The reasons are mainly due to the international context of extending period of plants operation. Moreover, new scientific discoveries, such as the corrosive influence of the medium on the fatigue process (environmentally assisted fatigue - EAF) play an important role and influence the code development (ASME, EAF code cases). The fatigue damage process takes a central position in ageing mechanisms of components. It must be ensured through appropriate evidence that facilities are being operated under allowable boundary conditions. In the design phase of NPP, fatigue analyses are still based on theoretical considerations and empirical values, which are summarized in the design transient catalogue, necessary for licensing. These analyses aim at proving the admissibility of the loads in terms of stress and fatigue usage. These analyses will also provide the fatigue-relevant positions in the NPP and give a basis for future design improvements and optimization of operating modes. The design transients are in practice conservatively correlated with the real transients occurring during operation. Uncertainties reveal very conservative assumptions regarding forecast temperatures, temperature gradients and frequencies of events. During operation of the plant, it has to be recurrently proved, that the plant is being operated under designed boundary conditions. Moreover, operating signals are constantly acquired to enable a fatigue evaluation. For example, in Germany fatigue evaluation is based on decades of experience and regulatory requirements. The rule KTA 3201.4 [1] establishes the rules for qualified fatigue monitoring. The rule DIN 25475-3 [2] on fatigue monitoring systems is available in draft version. Experience shows that some significant differences occur between the design transients and the real occurred transients during plant operation. The reasons for it are the various manual control options and also different operating modes. It is clear that showing the covering of real loads by design loads, requires a relatively complex and well-qualified detection process. The difficulty of this task is increased due to the lack of data or incomplete information and the exclusive reliance on existing operation plant data. The strategy of employing local fatigue monitoring is a straightforward solution enabling the direct measurement of loads on the fatigue-sensitive zones. Nowadays a direct derivation of the complete stress tensor at the fatigue-relevant locations is enabled thanks to the recorded local loads and combination with finite element (FE) analyses. So, additionally to the recorded temperature curves, a representation of the time evolution of the six stress components for each monitored component is possible. This allows the application of the simplified elasto-plastic fatigue check according to design codes. The fatigue level can be realistically analyzed with a suitable cycle-counting method. Furthermore, the knowledge of the time evolution of the stresses and strains enables to take into account an environmental factor to include the corrosive fluid influence in the calculations. Without local recording, it is impossible to calculate realistic fatigue usage. AREVA offers the AREVA fatigue concept (AFC) and the new fatigue monitoring system integrated (FAMOSi), necessary tools to monitor local fatigue and to provide realistic assessment. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach

The forces acting on the atoms as well as the stress tensor are crucial ingredients for calculating the structural and dynamical properties of systems in the condensed phase. Here, these derivatives of the total energy are evaluated for the second-order Møller-Plesset perturbation energy (MP2) in the framework of the resolution of identity Gaussian and plane waves method, in a way that is fully consistent with how the total energy is computed. This consistency is non-trivial, given the different ways employed to compute Coulomb, exchange, and canonical four center integrals, and allows, for example, for energy conserving dynamics in various ensembles. Based on this formalism, a massively parallel algorithm has been developed for finite and extended system. The designed parallel algorithm displays, with respect to the system size, cubic, quartic, and quintic requirements, respectively, for the memory, communication, and computation. All these requirements are reduced with an increasing number of processes, and the measured performance shows excellent parallel scalability and efficiency up to thousands of nodes. Additionally, the computationally more demanding quintic scaling steps can be accelerated by employing graphics processing units (GPU’s) showing, for large systems, a gain of almost a factor two compared to the standard central processing unit-only case. In this way, the evaluation of the derivatives of the RI-MP2 energy can be performed within a few minutes for systems containing hundreds of atoms and thousands of basis functions. With good time to solution, the implementation thus opens the possibility to perform molecular dynamics (MD) simulations in various ensembles (microcanonical ensemble and isobaric-isothermal ensemble) at the MP2 level of theory. Geometry optimization, full cell relaxation, and energy conserving MD simulations have been performed for a variety of molecular crystals including NH{sub 3}, CO{sub 2}, formic acid, and benzene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Lattice QCD Calculation of Nucleon Structure

It is emphasized in the 2015 NSAC Long Range Plan that "understanding the structure of hadrons in terms of QCD's quarks and gluons is one of the central goals of modern nuclear physics." Over the last three decades, lattice QCD has developed into a powerful tool for ab initio calculations of strong-interaction physics. Up until now, it is the only theoretical approach to solving QCD with controlled statistical and systematic errors. Since 1985, we have proposed and carried out first-principles calculations of nucleon structure and hadron spectroscopy using lattice QCD which entails both algorithmic development and large-scale computer simulation. We started out by calculating the nucleon form factors -- electromagnetic, axial-vector, πNN, and scalar form factors, the quark spin contribution to the proton spin, the strangeness magnetic moment, the quark orbital angular momentum, the quark momentum fraction, and the quark and glue decomposition of the proton momentum and angular momentum. The first round of calculations were done with Wilson fermions in the `quenched' approximation where the dynamical effects of the quarks in the sea are not taken into account in the Monte Carlo simulation to generate the background gauge configurations. Beginning in 2000, we have started implementing the overlap fermion formulation into the spectroscopy and structure calculations. This is mainly because the overlap fermion honors chiral symmetry as in the continuum. It is going to be more and more important to take the symmetry into account as the simulations move closer to the physical point where the u and d quark masses are as light as a few MeV only. We began with lattices which have quark masses in the sea corresponding to a pion mass at ~ 300 MeV and obtained the strange form factors, charm and strange quark masses, the charmonium spectrum and the D s meson decay constant f D s , the strangeness and charmness, the meson mass decomposition and the strange quark spin from the anomalous Ward identity. Recently, we have started to include multiple lattices with different lattice spacings and different volumes including large lattices at the physical pion mass point. We are getting quite close to being able to calculate the hadron structure at the physical point and to do the continuum and large volume extrapolations, which is our ultimate aim. We have now finished several projects which have included these systematic corrections. They include the leptonic decay width of the ρ, the πN sigma and strange sigma terms, and the strange quark magnetic moment. Over the years, we have also studied hadron spectroscopy with lattice calculations and in phenomenology. These include Roper resonance, pentaquark state, charmonium spectrum, glueballs, scalar mesons a 0 (1450) and σ(600) and other scalar mesons, and the 1 -+ meson. In addition, we have employed the canonical approach to explore the first-order phase transition and the critical point at finite density and finite temperature. We have also discovered a new parton degree of freedom -- the connected sea partons, from the path-integral formulation of the hadronic tensor, which explains the experimentally observed Gottfried sum rule violation. Combining experimental result on the strange parton distribution, the CT10 global fitting results of the total u and d anti-partons and the lattice result of the ratio of the momentum fraction of the strange vs that of u or d in the disconnected insertion, we have shown that the connected sea partons can be isolated. In this final technical report, we shall present a few representative highlights that have been achieved in the project.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Simons Observatory: Constraining inflationary gravitational waves with multitracer B-mode delensing

We introduce and validate a delensing framework for the Simons Observatory (SO), which will be used to improve constraints on inflationary gravitational waves by reducing the lensing noise in measurements of the B modes in CMB polarization. SO will initially observe CMB by using three small aperture telescopes and one large-aperture telescope. While polarization maps from small-aperture telescopes will be used to constrain inflationary gravitational waves, the internal CMB lensing maps used to delens will be reconstructed from data from the large-aperture telescope. Since lensing maps obtained from the SO data will be noise dominated on subdegree scales, the SO lensing framework constructs a template for lensing-induced B modes by combining internal CMB lensing maps with maps of the cosmic infrared background from Planck as well as galaxy density maps from the LSST survey. We construct a likelihood for constraining the tensor-to-scalar ratio r that contains auto and cross spectra between observed B modes and the lensing B-mode template. We test our delensing analysis pipeline on map-based simulations containing survey nonidealities, but that, for this initial exploration, does not include contamination from Galactic and extragalactic foregrounds. We find that the SO survey masking and inhomogeneous and atmospheric noise have very little impact on the delensing performance, and the r constraint becomes σ(r)≈0.0015 which is close to that obtained from the idealized forecasts in the absence of the Galactic foreground and is nearly a factor of 2 tighter than without delensing. We also find that uncertainties in the external large-scale structure tracers used in our multitracer delensing pipeline lead to bias much smaller than the 1σ statistical uncertainties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Simons Observatory: Constraining inflationary gravitational waves with multitracer B-mode delensing

We introduce and validate a delensing framework for the Simons Observatory (SO), which will be used to improve constraints on inflationary gravitational waves by reducing the lensing noise in measurements of the B modes in CMB polarization. SO will initially observe CMB by using three small aperture telescopes and one large-aperture telescope. While polarization maps from small-aperture telescopes will be used to constrain inflationary gravitational waves, the internal CMB lensing maps used to delens will be reconstructed from data from the large-aperture telescope. Since lensing maps obtained from the SO data will be noise dominated on subdegree scales, the SO lensing framework constructs a template for lensing-induced B modes by combining internal CMB lensing maps with maps of the cosmic infrared background from Planck as well as galaxy density maps from the LSST survey. We construct a likelihood for constraining the tensor-to-scalar ratio r that contains auto and cross spectra between observed B modes and the lensing B-mode template. We test our delensing analysis pipeline on map-based simulations containing survey nonidealities, but that, for this initial exploration, does not include contamination from Galactic and extragalactic foregrounds. We find that the SO survey masking and inhomogeneous and atmospheric noise have very little impact on the delensing performance, and the r constraint becomes σ(r)≈0.0015 which is close to that obtained from the idealized forecasts in the absence of the Galactic foreground and is nearly a factor of 2 tighter than without delensing. We also find that uncertainties in the external large-scale structure tracers used in our multitracer delensing pipeline lead to bias much smaller than the 1σ statistical uncertainties.

Toshiya Namikawa↗

Tunable, Homoepitaxial Hyperbolic Metamaterials Enabled by High Mobility CdO

We report propagating light exhibits hyperbolicity in strongly anisotropic materials where the principal components of the dielectric tensor are opposite in sign. While hyperbolicity occurs naturally in anisotropic polar dielectrics, wherein optical phonons along orthogonal crystal axes are nondegenerate, such optical anisotropy can also be engineered in hyperbolic metamaterials (HMMs): thin film superlattices of alternating dielectric and metallic layers. Contrasted with the severely limited tunability of natural hyperbolic materials, the hyperbolic behavior of HMMs can be tailored significantly both through superlattice design and material selection. However, so far HMMs have suffered from high optical losses, hindering their performance. In this report, broadly tunable (λ = 2–5 µm) Type I and II hyperbolic modes with low losses (quality (Q)-factors up to 19.7) are observed through attenuated total reflectance measurements of monolithic, homoepitaxial superlattices of high- and low-doped cadmium oxide (CdO). Further, the low losses offered by CdO enable the first demonstration of real-space imaging of hyperbolic plasmon polaritons in nanoresonators by scattering-type scanning near-field optical microscopy—previously only possible for hyperbolic phonon polariton materials. Tunable, low-loss CdO HMMs promise designability for applications such as on-chip photonics, super-resolution imaging (hyperlensing), enhanced emission, novel emitter designs, and possibly quantum nanophotonic and time variant metasurfaces.

36 MATERIALS SCIENCE↗

Orientational Pair Correlations and Local Structure of Benzonitrile from Molecular Dynamics Simulations with Comparisons to Experiments [plus supplemental information]

Here, we present an experimentally parametrized molecular dynamics study of single-molecule and collective orientational relaxation in neat benzonitrile through the analysis of the reorientational anisotropy and polarizability anisotropy time-correlation function (PA-TCF). The simulations show that the PA-TCF is dominated by collective reorientation after 20 ps. Collective reorientation is found to be slower than single-molecule reorientation by a factor of 1.67, consistent with recent experiments. The simulations provide direct evidence of local antiparallel benzonitrile configurations. These structures, which have been the center of some debate, are responsible for the slower rate of collective vs. single-molecule reorientation in the liquid. Further structural analysis indicates that significant Coulombic interactions between the nitrile group and hydrogen atoms on adjacent molecules play a role in the formation of the antiparallel structures. The single-molecule dynamics reflected in the anisotropy are complex and consist of a ballistic regime, restricted angular diffusion, and spatially anisotropic free diffusion. The principal components of the rotational diffusion tensor are independently obtained and shown to reproduce the free diffusion regime of the anisotropy for each principal axis according to the predictions of a previous theory.

14 SOLAR ENERGY↗

Operator spreading in quantum maps

Operators in ergodic spin chains are found to grow according to hydrodynamical equations of motion. The study of such operator spreading has aided our understanding of many-body quantum chaos in spin chains. Here we initiate the study of “operator spreading” in quantum maps on a torus, systems which do not have a tensor-product Hilbert space or a notion of spatial locality. Using the perturbed Arnold cat map as an example, we analytically compare and contrast the evolutions of functions on classical phase space and quantum operator evolutions, and identify distinct timescales that characterize the dynamics of operators in quantum chaotic maps. Until an Ehrenfest time, the quantum system exhibits classical chaos, i.e., it mimics the behavior of the corresponding classical system. After an operator scrambling time, the operator looks “random” in the initial basis, a characteristic feature of quantum chaos. These timescales can be related to the quasienergy spectrum of the unitary via the spectral form factor. Furthermore, we show examples of “emergent classicality” in quantum problems far away from the classical limit. Lastly, we study operator evolution in nonchaotic and mixed quantum maps using the Chirikov standard map as an example.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Cosmic discordance: are Planck CMB and CFHTLenS weak lensing measurements out of tune?

We examine the level of agreement between low-redshift weak lensing data and the cosmic microwave background using measurements from the Canada–France–Hawaii Telescope Lensing Survey (CFHTLenS) and Planck+Wilkinson Microwave Anisotropy Probe (WMAP) polarization. We perform an independent analysis of the CFHTLenS six bin tomography results of Heymans et al. We extend their systematics treatment and find the cosmological constraints to be relatively robust to the choice of non-linear modelling, extension to the intrinsic alignment model and inclusion of baryons. We find that when marginalized in the Ωm–σ8 plane, the 95 percent confidence contours of CFHTLenS and Planck+WMAP only just touch, but the discrepancy is less significant in the full six-dimensional parameter space of Λ cold dark matter (ΛCDM). Allowing a massive active neutrino or tensor modes does not significantly resolve the tension in the full n-dimensional parameter space. Our results differ from some in the literature because we use the full tomographic information in the weak lensing data and marginalize over systematics. We note that adding a sterile neutrino to ΛCDM brings the 2D marginalized contours into greater overlap, mainly due to the extra effective number of neutrino species, which we find to be 0.88 ± 0.43 (68 per cent) greater than standard on combining the data sets. We discuss why this is not a completely satisfactory resolution, leaving open the possibility of other new physics or observational systematics as contributing factors. We provide updated cosmology fitting functions for the CFHTLenS constraints and discuss the differences from ones used in the literature.

79 ASTRONOMY AND ASTROPHYSICS↗

Short-range correlation physics at low renormalization group resolution

Recent experiments have succeeded in isolating processes for which short-range correlation (SRC) physics is dominant and well accounted for by SRC phenomenology. But an alternative and compelling picture emerges from renormalization group (RG) evolution to low RG resolution. At high RG resolution, SRCs are identified as components in the nuclear wave function with relative pair momenta greater than the Fermi momentum. Scale separation results in wave-function factorization that can be exploited with phenomenologies such as the generalized contact formalism or the low-order correlation operator approximation. Evolution to lower resolution shifts SRC physics from nuclear structure to the reaction operators without changing the measured observables. We show how the features of SRC phenomenology manifested at high RG resolution are cleanly identified at low RG resolution using simple two-body operators and local-density approximations with uncorrelated wave functions, all of which can be systematically generalized. We verify that the experimental consequences to date follow directly at low resolution from well-established properties of nucleon-nucleon interactions such as the tensor force. Thus the RG reconciles the contrasting pictures of the same experiment and shows how to get correct results using wave functions without SRC components. Finally, our demonstration has implications for the analysis of knockout reactions for which SRC physics is not cleanly isolated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Quantum properties of non-Dirichlet boundary conditions in gravity

The Euclidean path integral for gravity is enriched by the addition of boundaries, which provide useful probes of thermodynamic properties. Common boundary conditions include Dirichlet conditions on the boundary induced metric; microcanonical conditions, which refers to fixing some components of the Brown-York boundary stress tensor; and conformal conditions, in which the conformal structure of the induced metric and the trace of the extrinsic curvature are fixed. Boundaries also present interesting problems of consistency. The Dirichlet problem is known, under various (and generally different) conditions, to be inconsistent with perturbative quantization of graviton fluctuations, to exhibit thermodynamic instability, or to require infinite fine-tuning in the presence of matter fluctuations. We extend some of these results to other boundary conditions. We find that similarly to the Dirichlet problem, the graviton fluctuation operator is not elliptic with microcanonical boundaries, and the nonelliptic modes correspond to “boundary-moving diffeomorphisms.” However, we argue that microcanonical factorization of path integrals—essentially, the insertion of microcanonical constraints on two-sided surfaces in the bulk—is not affected by the same issues of ellipticity. We also show that for a variety of matter field boundary conditions, matter fluctuations renormalize the gravitational bulk and boundary terms differently, so that the classical microcanonical or conformal variational problems are not preserved unless an infinite fine-tuning is performed.

Draper, Patrick [Univ. of Illinois at Urbana-Champ↗

Dual Optical Hyperbolicity of PdCoO 2 and PdCrO 2 Delafossite Single Crystals

Hyperbolic materials exhibit a very peculiar optical anisotropy with simultaneously different signs of the dielectric tensor components. This anisotropy allows the propagation of exotic surface-wave excitations like hyperbolic phonons and plasmon polaritons. While hyperbolic materials hold promise for applications in subwavelength photonics and enhanced light-matter interactions, their natural occurrence is limited to a few materials, often accompanied by significant dielectric losses and limited hyperbolic spectral bandwidth. Focusing on PdCoO 2 and PdCrO 2 delafossite transition-metal oxides, in this paper unique dual hyperbolic regimes are demonstrated:: one localized around a phonon absorption in the mid-infrared spectral region, and the other extending into the visible range. Both hyperbolic regimes show exceptional properties including low dissipation and high hyperbolic quality factors. These results pave the way for innovative applications of delafossite layered metals in subwavelength photonics, imaging, and sensing.

36 MATERIALS SCIENCE↗